4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide

C20H16ClF3N2O3S — CID 1471186

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1
InChIInChI=1S/C20H16ClF3N2O3S/c1-12-7-13(2)9-15(8-12)26-30(27,28)17-5-3-16(4-6-17)29-19-18(21)10-14(11-25-19)20(22,23)24/h3-11,26H,1-2H3
InChIKeyRIHPHIYYNOTTIG-UHFFFAOYSA-N
MW456.87 g/mol
LogP5.96
Rot. Bonds5

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide (PubChem CID 1471186) has the molecular formula C20H16ClF3N2O3S and a molecular weight of 456.87 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide
PubChem CID1471186
Molecular FormulaC20H16ClF3N2O3S
Molecular Weight456.87 g/mol
Exact Mass456.05
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1
InChIInChI=1S/C20H16ClF3N2O3S/c1-12-7-13(2)9-15(8-12)26-30(27,28)17-5-3-16(4-6-17)29-19-18(21)10-14(11-25-19)20(22,23)24/h3-11,26H,1-2H3
InChIKeyRIHPHIYYNOTTIG-UHFFFAOYSA-N
XLogP5.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.87
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(5-Chloro-6-methoxy-3-pyridinyl)phenyl]sulfonylamino]benzenesulfonamide
CID 42630323
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-N-isopropylbenzenesulfonamide
CID 1471207
2-(3-Chloro-5-pyridyloxy)-5-(2,4-dichlorobenzenesulfonamido)benzotrifluoride
CID 22993886
N-[2-(4-chlorophenoxy)pyridin-3-yl]-4-methylbenzenesulfonamide
CID 2728373
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-N-propylbenzenesulfonamide
CID 4353061
6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
CID 8933114
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide
CID 71525168
N'-(3-methylphenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonohydrazide
CID 118706835
4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)-N-(3-(dimethylamino)propyl)benzenesulfonamide
CID 3835354
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylbenzenesulfonamide
CID 1471205
N-(Tert-butyl)-4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonamide
CID 1471208
4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)-N-(3-methoxypropyl)benzenesulfonamide
CID 3698349

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide (CID 1471186) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide?
The InChIKey is RIHPHIYYNOTTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O3S/c1-12-7-13(2)9-15(8-12)26-30(27,28)17-5-3-16(4-6-17)29-19-18(21)10-14(11-25-19)20(22,23)24/h3-11,26H,1-2H3.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide has a molecular weight of 456.87 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(3,5-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 1471186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).